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Title: Materials Data on LiCu(PO3)2 by Materials Project

Abstract

LiCu(PO3)2 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with four equivalent PO4 tetrahedra and edges with two equivalent CuO4 tetrahedra. All Li–O bond lengths are 1.91 Å. Cu1+ is bonded to four equivalent O2- atoms to form distorted CuO4 tetrahedra that share corners with four equivalent PO4 tetrahedra and edges with two equivalent LiO4 tetrahedra. All Cu–O bond lengths are 2.06 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent CuO4 tetrahedra, and corners with two equivalent PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.60 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Cu1+, and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms.

Publication Date:
Other Number(s):
mp-752930
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LiCu(PO3)2; Cu-Li-O-P
OSTI Identifier:
1288851
DOI:
10.17188/1288851

Citation Formats

The Materials Project. Materials Data on LiCu(PO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288851.
The Materials Project. Materials Data on LiCu(PO3)2 by Materials Project. United States. doi:10.17188/1288851.
The Materials Project. 2020. "Materials Data on LiCu(PO3)2 by Materials Project". United States. doi:10.17188/1288851. https://www.osti.gov/servlets/purl/1288851. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1288851,
title = {Materials Data on LiCu(PO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCu(PO3)2 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with four equivalent PO4 tetrahedra and edges with two equivalent CuO4 tetrahedra. All Li–O bond lengths are 1.91 Å. Cu1+ is bonded to four equivalent O2- atoms to form distorted CuO4 tetrahedra that share corners with four equivalent PO4 tetrahedra and edges with two equivalent LiO4 tetrahedra. All Cu–O bond lengths are 2.06 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with two equivalent CuO4 tetrahedra, and corners with two equivalent PO4 tetrahedra. There is two shorter (1.50 Å) and two longer (1.60 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Cu1+, and one P5+ atom. In the second O2- site, O2- is bonded in a linear geometry to two equivalent P5+ atoms.},
doi = {10.17188/1288851},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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